This work was performed under the auspices of the U. S. Atomic Energy Commission.Author Institution: Lawrence Radiation LaboratoryA classic example of the Renner-Teller effect is the $NH_{2}$ molecule. As the doubly degenerate $^{2}\Pi$ state is bent, two states, $^{2}B_{1}$ and $^{2}A_{1}$ appear. Unlike many molecules, both states have minimums in the bent geometry. The geometries of these states have been determined by ab initio methods which far exceed the accuracy attained by traditional Roothaan Self Consistent Field (SCF) calculations. Potential surfaces as well as many one-electron molecular properties will be presented
International audienceFor electronically degenerate states of linear tetra-atomic molecules, a new m...
The different types of surface intersection which may occur in linear configurations of triatomic mo...
Author Institution: Laboratorium fur Physikalische Chemie, ETH Zurich, CH-8093 Zurich, SwitzerlandPF...
This work was performed under the auspices of the U. S. Atomic Energy Commission.Author Institution:...
The Renner-Teller (RT) effect between the two low-lying electronic states of singlet CH2, (a) over t...
To calculate the rovibronic energies of a triatomic molecule in an electronic state that is degenera...
Author Institution: FB 9 - Theoretische Chemie, Bergische Universit\""{a}t; Department of Chemistry,...
Author Institution: Department of Chemistry, Brookhaven National LaboratoryWe report detailed measur...
We have developed a computational procedure, based on the variational method, for the calculation of...
International audienceThe variational approach detailed in the previous paper Paper I for the treatm...
$^{a}$U. Schnupf, Ph. D. Thesis, Dept of Chemistry, Emory University 1995.Author Institution: Depart...
International audienceA new variational methodology for the treatment of the Renner Teller effect in...
Author Institution: Division of Pure Physics, National Research CouncilTheoretical expressions for t...
We have developed a computational procedure, based on the variational method, for the calculation of...
Author Institution: Department of Physics, SUPA, John Anderson Building, University of Strathclyde, ...
International audienceFor electronically degenerate states of linear tetra-atomic molecules, a new m...
The different types of surface intersection which may occur in linear configurations of triatomic mo...
Author Institution: Laboratorium fur Physikalische Chemie, ETH Zurich, CH-8093 Zurich, SwitzerlandPF...
This work was performed under the auspices of the U. S. Atomic Energy Commission.Author Institution:...
The Renner-Teller (RT) effect between the two low-lying electronic states of singlet CH2, (a) over t...
To calculate the rovibronic energies of a triatomic molecule in an electronic state that is degenera...
Author Institution: FB 9 - Theoretische Chemie, Bergische Universit\""{a}t; Department of Chemistry,...
Author Institution: Department of Chemistry, Brookhaven National LaboratoryWe report detailed measur...
We have developed a computational procedure, based on the variational method, for the calculation of...
International audienceThe variational approach detailed in the previous paper Paper I for the treatm...
$^{a}$U. Schnupf, Ph. D. Thesis, Dept of Chemistry, Emory University 1995.Author Institution: Depart...
International audienceA new variational methodology for the treatment of the Renner Teller effect in...
Author Institution: Division of Pure Physics, National Research CouncilTheoretical expressions for t...
We have developed a computational procedure, based on the variational method, for the calculation of...
Author Institution: Department of Physics, SUPA, John Anderson Building, University of Strathclyde, ...
International audienceFor electronically degenerate states of linear tetra-atomic molecules, a new m...
The different types of surface intersection which may occur in linear configurations of triatomic mo...
Author Institution: Laboratorium fur Physikalische Chemie, ETH Zurich, CH-8093 Zurich, SwitzerlandPF...